methane;[2-(4-methylphenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone

C21H24N2O4 — CID 160633416

IUPACmethane;[2-(4-methylphenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESC.COc1cc(C(=O)c2cnc(-c3ccc(C)cc3)[nH]2)cc(OC)c1OC
InChIInChI=1S/C20H20N2O4.CH4/c1-12-5-7-13(8-6-12)20-21-11-15(22-20)18(23)14-9-16(24-2)19(26-4)17(10-14)25-3;/h5-11H,1-4H3,(H,21,22);1H4
InChIKeyRIFIKDPYLFKEOG-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.28
Rot. Bonds6

About methane;[2-(4-methylphenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone

methane;[2-(4-methylphenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 160633416) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is methane;[2-(4-methylphenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Namemethane;[2-(4-methylphenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID160633416
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Namemethane;[2-(4-methylphenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESC.COc1cc(C(=O)c2cnc(-c3ccc(C)cc3)[nH]2)cc(OC)c1OC
InChIInChI=1S/C20H20N2O4.CH4/c1-12-5-7-13(8-6-12)20-21-11-15(22-20)18(23)14-9-16(24-2)19(26-4)17(10-14)25-3;/h5-11H,1-4H3,(H,21,22);1H4
InChIKeyRIFIKDPYLFKEOG-UHFFFAOYSA-N
XLogP4.28
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methane;[2-(4-methylphenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-nitrophenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 69039473
(2-pyrimidin-4-yl-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 69038939
[2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 53379371
[2-(1-benzofuran-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 66561353
[2-(2-deuterio-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 175964433
methyl 4-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]benzoate
CID 142749790
[2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 141409878
[2-(4-deuterio-1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 176847170
2-(3,4-dimethoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 62250258
(2-deuterio-3,4,5-trimethoxyphenyl)-[2-(1H-indol-3-yl)-1H-imidazol-5-yl]methanone
CID 176847172
[2-(3-amino-4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 141409884
[5-(3-hydroxy-4-methylphenyl)-3-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone
CID 155560958

Frequently Asked Questions

What is the IUPAC name of methane;[2-(4-methylphenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of methane;[2-(4-methylphenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 160633416) is methane;[2-(4-methylphenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for methane;[2-(4-methylphenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for methane;[2-(4-methylphenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone is C.COc1cc(C(=O)c2cnc(-c3ccc(C)cc3)[nH]2)cc(OC)c1OC.
What is the InChIKey of methane;[2-(4-methylphenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is RIFIKDPYLFKEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4.CH4/c1-12-5-7-13(8-6-12)20-21-11-15(22-20)18(23)14-9-16(24-2)19(26-4)17(10-14)25-3;/h5-11H,1-4H3,(H,21,22);1H4.
What are the key properties of methane;[2-(4-methylphenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone?
methane;[2-(4-methylphenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 368.43 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;[2-(4-methylphenyl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 160633416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).